Difference between revisions of "How to compile DOCK"

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m (bugfix)
(Change to subversion)
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'''Checking out the source files'''
 
'''Checking out the source files'''
* change to cshell.
 
* create a directory for the source files.
 
* change to this directory.
 
* set the environment variable for CVS.
 
* check out the dock sources.
 
* check out the auxilliary libraries.
 
  
As commands:
+
Commands:
 
  csh
 
  csh
  mkdir /where/to/put/dock35
+
  mkdir /where/to/put
  cd /where/to/put/dock35
+
  cd /where/to/put
  setenv CVSROOT /raid1/cvs
+
  svn checkout file:///raid4/svn/dock
cvs co dock
+
  svn checkout file:///raid4/svn/libfgz
  cvs co libfgz
 
  
'''Compiling the program'''
+
'''Compiling the program on our cluster'''
  
On a 64-bit machine, e.g. one of the compilation nodes on the shared QB3 cluster (optint1 or optint2):
+
Commands:
 +
cd /where/to/put/libfgz/trunk
 +
make
 +
cd ../../dock/trunk/i386
 +
make
 +
 
 +
'''Compiling the program on the shared QB3 cluster'''
 +
 
 +
On one of the compilation nodes on the shared QB3 cluster (optint1 or optint2):
  
 
  ssh optint2
 
  ssh optint2
  cd /where/to/put/dock35
+
  cd /where/to/put/libfgz/trunk
cd libfgz/
 
 
  cp Makefile Makefile.old
 
  cp Makefile Makefile.old
 
  modify Makefile:
 
  modify Makefile:
  comment out the following:
 
  #FC = gfortran -O3
 
  #CC = gcc -O3
 
 
   uncomment the following:
 
   uncomment the following:
 
   FC = ifort -O3
 
   FC = ifort -O3
 
   CC = icc -O3
 
   CC = icc -O3
 
  make
 
  make
  cd ../dock/i386/
+
  cd ../../dock/trunk/i386
 
  cp Makefile Makefile.old
 
  cp Makefile Makefile.old
 
  modify Makefile
 
  modify Makefile
  comment out the following:
 
  #F77 = pgf77
 
  #FFLIBS = -lc -lgcc_eh -lgfortran
 
  #FFLAGS = -byteswapio ...
 
 
   uncomment the following:
 
   uncomment the following:
 
   F77 = ifort
 
   F77 = ifort
 
   FFLAGS = -O3 -convert big_endian
 
   FFLAGS = -O3 -convert big_endian
  make
+
  make dock
 
 
  
 
[[Category:Tutorials]]
 
[[Category:Tutorials]]

Revision as of 01:14, 5 December 2009

Checking out the source files

Commands:

csh
mkdir /where/to/put
cd /where/to/put
svn checkout file:///raid4/svn/dock
svn checkout file:///raid4/svn/libfgz

Compiling the program on our cluster

Commands:

cd /where/to/put/libfgz/trunk
make
cd ../../dock/trunk/i386
make

Compiling the program on the shared QB3 cluster

On one of the compilation nodes on the shared QB3 cluster (optint1 or optint2):

ssh optint2
cd /where/to/put/libfgz/trunk
cp Makefile Makefile.old
modify Makefile:
 uncomment the following:
 FC = ifort -O3
 CC = icc -O3
make
cd ../../dock/trunk/i386
cp Makefile Makefile.old
modify Makefile
 uncomment the following:
 F77 = ifort
 FFLAGS = -O3 -convert big_endian
make dock